1,1-dimethoxy-2-methylheptan-2-ol

C10H22O3 — CID 66038845

IUPAC1,1-dimethoxy-2-methylheptan-2-ol
SMILESCCCCCC(C)(O)C(OC)OC
InChIInChI=1S/C10H22O3/c1-5-6-7-8-10(2,11)9(12-3)13-4/h9,11H,5-8H2,1-4H3
InChIKeyKCYRVECIVJBOID-UHFFFAOYSA-N
MW190.28 g/mol
LogP1.94
Rot. Bonds7

About 1,1-dimethoxy-2-methylheptan-2-ol

1,1-dimethoxy-2-methylheptan-2-ol (PubChem CID 66038845) has the molecular formula C10H22O3 and a molecular weight of 190.28 g/mol. Its IUPAC name is 1,1-dimethoxy-2-methylheptan-2-ol.

Molecular Properties

Compound Name1,1-dimethoxy-2-methylheptan-2-ol
PubChem CID66038845
Molecular FormulaC10H22O3
Molecular Weight190.28 g/mol
Exact Mass190.16
IUPAC Name1,1-dimethoxy-2-methylheptan-2-ol
SMILESCCCCCC(C)(O)C(OC)OC
InChIInChI=1S/C10H22O3/c1-5-6-7-8-10(2,11)9(12-3)13-4/h9,11H,5-8H2,1-4H3
InChIKeyKCYRVECIVJBOID-UHFFFAOYSA-N
XLogP1.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethoxy-2,2-dimethylheptane
CID 173169063
(3S)-2,3-dimethyloctan-3-ol
CID 25021578
5-(dimethoxymethyl)-5-methylundecane
CID 139546819
2,3-dimethyltridecan-3-ol
CID 14591139
1,1,2,2-tetramethoxyoctane
CID 15697911
1,1,3-trimethoxy-2-methylpropan-2-ol
CID 79568106
(2S)-2-amino-3-methyloctadecane-1,3-diol
CID 11370484
13-methylheptacosan-13-ol
CID 87343529
2-methyldodecan-2-ol
CID 547702
methyl 3-hydroxy-2,3-dimethylheptanoate
CID 6422821
3,3-dimethyloctane-2,2-diol
CID 175169414
methyl 2-hydroxy-2-methylheptanoate
CID 80558778

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxy-2-methylheptan-2-ol?
The IUPAC name of 1,1-dimethoxy-2-methylheptan-2-ol (CID 66038845) is 1,1-dimethoxy-2-methylheptan-2-ol.
What is the SMILES notation for 1,1-dimethoxy-2-methylheptan-2-ol?
The canonical SMILES for 1,1-dimethoxy-2-methylheptan-2-ol is CCCCCC(C)(O)C(OC)OC.
What is the InChIKey of 1,1-dimethoxy-2-methylheptan-2-ol?
The InChIKey is KCYRVECIVJBOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3/c1-5-6-7-8-10(2,11)9(12-3)13-4/h9,11H,5-8H2,1-4H3.
What are the key properties of 1,1-dimethoxy-2-methylheptan-2-ol?
1,1-dimethoxy-2-methylheptan-2-ol has a molecular weight of 190.28 g/mol, XLogP of 1.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxy-2-methylheptan-2-ol is sourced from PubChem (CID 66038845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).